N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide

C21H26N2O3S — CID 17470307

IUPACN-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-4-15-22(2)21(24)18-11-13-19(14-12-18)27(25,26)23-16-7-9-17-8-5-6-10-20(17)23/h5-6,8,10-14H,3-4,7,9,15-16H2,1-2H3
InChIKeyMUVNNVBXABRPQQ-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.70
Rot. Bonds6

About N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide

N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide (PubChem CID 17470307) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide
PubChem CID17470307
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-4-15-22(2)21(24)18-11-13-19(14-12-18)27(25,26)23-16-7-9-17-8-5-6-10-20(17)23/h5-6,8,10-14H,3-4,7,9,15-16H2,1-2H3
InChIKeyMUVNNVBXABRPQQ-UHFFFAOYSA-N
XLogP3.70
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
CID 109061427
N-butyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-methylbenzamide
CID 27702630
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 17394971
ethyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 7938499
N-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973673
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 134057952
N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
CID 109006191
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
N-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 18106238
cyanomethyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 3487465
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 4885522
N,N-dibenzyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 4128008

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide?
The IUPAC name of N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide (CID 17470307) is N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide.
What is the SMILES notation for N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide?
The canonical SMILES for N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide is CCCCN(C)C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide?
The InChIKey is MUVNNVBXABRPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-4-15-22(2)21(24)18-11-13-19(14-12-18)27(25,26)23-16-7-9-17-8-5-6-10-20(17)23/h5-6,8,10-14H,3-4,7,9,15-16H2,1-2H3.
What are the key properties of N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide?
N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide is sourced from PubChem (CID 17470307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).